2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile

C14H18N2 — CID 62131750

IUPAC2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
SMILESCC(C#N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2/c1-12(9-15)10-16-8-7-14(11-16)13-5-3-2-4-6-13/h2-6,12,14H,7-8,10-11H2,1H3
InChIKeyZPAYTWYHUXAKPA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.64
Rot. Bonds3

About 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile

2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile (PubChem CID 62131750) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
PubChem CID62131750
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
SMILESCC(C#N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2/c1-12(9-15)10-16-8-7-14(11-16)13-5-3-2-4-6-13/h2-6,12,14H,7-8,10-11H2,1H3
InChIKeyZPAYTWYHUXAKPA-UHFFFAOYSA-N
XLogP2.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131596
N-ethyl-2-methyl-3-(3-phenylpyrrolidin-1-yl)propan-1-amine
CID 62412984
1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136
4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 63028538
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile (CID 62131750) is 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile is CC(C#N)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The InChIKey is ZPAYTWYHUXAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12(9-15)10-16-8-7-14(11-16)13-5-3-2-4-6-13/h2-6,12,14H,7-8,10-11H2,1H3.
What are the key properties of 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 62131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).